N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide

C20H21N3O3S — CID 78820639

IUPACN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2ccc(SC)cc2)c1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-6-4-5-15(19(17)26-2)13-23-18(11-12-21-23)22-20(24)14-7-9-16(27-3)10-8-14/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyGUCVYCZUYRLDNP-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.92
Rot. Bonds7

About N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide (PubChem CID 78820639) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
PubChem CID78820639
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
SMILESCOc1cccc(Cn2nccc2NC(=O)c2ccc(SC)cc2)c1OC
InChIInChI=1S/C20H21N3O3S/c1-25-17-6-4-5-15(19(17)26-2)13-23-18(11-12-21-23)22-20(24)14-7-9-16(27-3)10-8-14/h4-12H,13H2,1-3H3,(H,22,24)
InChIKeyGUCVYCZUYRLDNP-UHFFFAOYSA-N
XLogP3.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-phenoxybenzamide
CID 52523207
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3,4,5-triethoxybenzamide
CID 55435038
3-cyano-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]benzamide
CID 18096334
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-ethoxypyridine-3-carboxamide
CID 26470200
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 43033841
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 51248422
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 51248461
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-[(3-methylphenyl)methoxy]benzamide
CID 52554971
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(2-ethylphenoxy)acetamide
CID 51248455
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
2-cyclopentyl-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 51248440
2-(2,4-dimethoxyphenyl)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 55434840

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide (CID 78820639) is N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide is COc1cccc(Cn2nccc2NC(=O)c2ccc(SC)cc2)c1OC.
What is the InChIKey of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
The InChIKey is GUCVYCZUYRLDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-6-4-5-15(19(17)26-2)13-23-18(11-12-21-23)22-20(24)14-7-9-16(27-3)10-8-14/h4-12H,13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide?
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide has a molecular weight of 383.47 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78820639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).